3M6D
The crystal structure of the d307a mutant of glycoside Hydrolase (family 31) from ruminococcus obeum atcc 29174
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.856, 124.025, 87.832 |
| Unit cell angles | 90.00, 108.15, 90.00 |
Refinement procedure
| Resolution | 49.780 - 2.900 |
| R-factor | 0.22206 |
| Rwork | 0.218 |
| R-free | 0.29659 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3FFJ |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.479 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.970 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.138 | 0.794 |
| Number of reflections | 29095 | |
| <I/σ(I)> | 10.9 | 1.4 |
| Completeness [%] | 99.2 | 94.1 |
| Redundancy | 4.5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 0.1M BIS-TRIS, 25% PEG3350, 5MM MALTOSE, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
